Geometry & MOs

Info

ID:	184809
PubChem CID:	77211017
Reduced:	F3O3N6C23H26 (1)
Stoich.:	A3B3C6D23E26 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-208.91
Dipole, Da:	4.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.850183
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-(1-methylpyrazol-4-yl)-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)CCC(F)(F)F)N4CCC5C4CNC5

DOS

IR

Vibrations